- Python
- Numpy
- Matplotlib
- To use this, you need to have,
OUTCAR
,CONTCAR
andDOSCAR
in the directory. - You also need to have the file
sh_vasp.py
either in the directory or in yourPYTHONPATH
.
- Once you have those things set up then you just need to play with this script.
- See the sample notebook
slab_example.ipynb
, it contains all the code needed. - The parameters you need to set are direction and number of bins - I think the meaning of these is quite clear.
- Automate more
- Allow writing of output files rather than plotting
This file is not affiliated with VASP. The code is distributed under the GNU General Public License v3.0